1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone

C14H9ClF3NO2 — CID 1482941

IUPAC1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
SMILESCC(=O)c1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C14H9ClF3NO2/c1-8(20)9-3-2-4-11(5-9)21-13-12(15)6-10(7-19-13)14(16,17)18/h2-7H,1H3
InChIKeyDVXOEGRDPONLIB-UHFFFAOYSA-N
MW315.68 g/mol
LogP4.75
Rot. Bonds3

About 1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone

1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone (PubChem CID 1482941) has the molecular formula C14H9ClF3NO2 and a molecular weight of 315.68 g/mol. Its IUPAC name is 1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
PubChem CID1482941
Molecular FormulaC14H9ClF3NO2
Molecular Weight315.68 g/mol
Exact Mass315.03
IUPAC Name1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
SMILESCC(=O)c1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C14H9ClF3NO2/c1-8(20)9-3-2-4-11(5-9)21-13-12(15)6-10(7-19-13)14(16,17)18/h2-7H,1H3
InChIKeyDVXOEGRDPONLIB-UHFFFAOYSA-N
XLogP4.75
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone?
The IUPAC name of 1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone (CID 1482941) is 1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone?
The canonical SMILES for 1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone is CC(=O)c1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone?
The InChIKey is DVXOEGRDPONLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO2/c1-8(20)9-3-2-4-11(5-9)21-13-12(15)6-10(7-19-13)14(16,17)18/h2-7H,1H3.
What are the key properties of 1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone?
1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone has a molecular weight of 315.68 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone is sourced from PubChem (CID 1482941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).